N-[1-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide

C22H35N3O3 — CID 78808872

IUPACN-[1-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
SMILESCC(C)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C22H35N3O3/c1-13(2)19(20(27)25(3)12-18(26)23-17-4-5-17)24-21(28)22-9-14-6-15(10-22)8-16(7-14)11-22/h13-17,19H,4-12H2,1-3H3,(H,23,26)(H,24,28)
InChIKeyPPRMTCLCNZINNU-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.08
Rot. Bonds7

About N-[1-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide

N-[1-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide (PubChem CID 78808872) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[1-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
PubChem CID78808872
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC NameN-[1-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
SMILESCC(C)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C22H35N3O3/c1-13(2)19(20(27)25(3)12-18(26)23-17-4-5-17)24-21(28)22-9-14-6-15(10-22)8-16(7-14)11-22/h13-17,19H,4-12H2,1-3H3,(H,23,26)(H,24,28)
InChIKeyPPRMTCLCNZINNU-UHFFFAOYSA-N
XLogP2.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide with MolForge

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Related Compounds

(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 78972028
N-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 119459240
N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 51175307
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 76893534
N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 42896670
2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468758
5-[[2-(adamantane-1-carbonylamino)-3-methylbutanoyl]amino]pentanoic acid
CID 119234600
N-[1-[benzyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 78798058
N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 18106489
(2S)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylpentanamide
CID 61173174
N-[1-[(2-amino-1-cyclopropylethyl)amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide;hydrochloride
CID 119617406
N-[3-methyl-1-[(3-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]adamantane-1-carboxamide;hydrochloride
CID 120554576

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[1-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide (CID 78808872) is N-[1-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[1-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[1-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide is CC(C)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)CC(=O)NC1CC1.
What is the InChIKey of N-[1-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide?
The InChIKey is PPRMTCLCNZINNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-13(2)19(20(27)25(3)12-18(26)23-17-4-5-17)24-21(28)22-9-14-6-15(10-22)8-16(7-14)11-22/h13-17,19H,4-12H2,1-3H3,(H,23,26)(H,24,28).
What are the key properties of N-[1-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide?
N-[1-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 78808872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).