tert-butyl N-[1-[[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate

C24H39N3O4 — CID 11510324

IUPACtert-butyl N-[1-[[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
SMILESCc1ccc(CC2(N(C)C)CCC(NC(=O)C(CO)NC(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C24H39N3O4/c1-17-7-9-18(10-8-17)15-24(27(5)6)13-11-19(12-14-24)25-21(29)20(16-28)26-22(30)31-23(2,3)4/h7-10,19-20,28H,11-16H2,1-6H3,(H,25,29)(H,26,30)
InChIKeyFVUYELGXRLLCHH-UHFFFAOYSA-N
MW433.59 g/mol
LogP2.78
Rot. Bonds7

About tert-butyl N-[1-[[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate (PubChem CID 11510324) has the molecular formula C24H39N3O4 and a molecular weight of 433.59 g/mol. Its IUPAC name is tert-butyl N-[1-[[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
PubChem CID11510324
Molecular FormulaC24H39N3O4
Molecular Weight433.59 g/mol
Exact Mass433.29
IUPAC Nametert-butyl N-[1-[[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
SMILESCc1ccc(CC2(N(C)C)CCC(NC(=O)C(CO)NC(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C24H39N3O4/c1-17-7-9-18(10-8-17)15-24(27(5)6)13-11-19(12-14-24)25-21(29)20(16-28)26-22(30)31-23(2,3)4/h7-10,19-20,28H,11-16H2,1-6H3,(H,25,29)(H,26,30)
InChIKeyFVUYELGXRLLCHH-UHFFFAOYSA-N
XLogP2.78
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.59
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-[[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[5-amino-1-[[4-[(4-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 11562318
tert-butyl N-[1-[cyclobutyl-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 18034813
tert-butyl N-[1-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-propylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 18034243
tert-butyl N-[3-hydroxy-1-[(4-morpholin-4-yl-4-phenylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate
CID 11575960
tert-butyl N-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]carbamate
CID 53328337
N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]propanamide
CID 91455018
tert-butyl N-[1-(cyclopropylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 24689176
tert-butyl N-[1-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-octylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 18037663
tert-butyl N-[1-[[2-(cyclohexylamino)-1-(2,5-dimethylphenyl)-2-oxoethyl]-propan-2-ylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 18034723
tert-butyl N-[(2R)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]carbamate
CID 87558504
methyl (2R)-3-[4-(4-methylphenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 135055605
ethane;3-(4-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 176967438

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate (CID 11510324) is tert-butyl N-[1-[[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate is Cc1ccc(CC2(N(C)C)CCC(NC(=O)C(CO)NC(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl N-[1-[[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate?
The InChIKey is FVUYELGXRLLCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O4/c1-17-7-9-18(10-8-17)15-24(27(5)6)13-11-19(12-14-24)25-21(29)20(16-28)26-22(30)31-23(2,3)4/h7-10,19-20,28H,11-16H2,1-6H3,(H,25,29)(H,26,30).
What are the key properties of tert-butyl N-[1-[[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate has a molecular weight of 433.59 g/mol, XLogP of 2.78, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 11510324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).