benzyl N-[1-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-1-oxopropan-2-yl]carbamate

C22H28N2O3 — CID 4877695

IUPACbenzyl N-[1-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)C(=O)N(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-16(2)20-12-10-18(11-13-20)14-24(4)21(25)17(3)23-22(26)27-15-19-8-6-5-7-9-19/h5-13,16-17H,14-15H2,1-4H3,(H,23,26)
InChIKeySFSGPMOJUXDWLW-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.08
Rot. Bonds7

About benzyl N-[1-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-1-oxopropan-2-yl]carbamate

benzyl N-[1-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-1-oxopropan-2-yl]carbamate (PubChem CID 4877695) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is benzyl N-[1-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-1-oxopropan-2-yl]carbamate
PubChem CID4877695
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Namebenzyl N-[1-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)C(=O)N(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-16(2)20-12-10-18(11-13-20)14-24(4)21(25)17(3)23-22(26)27-15-19-8-6-5-7-9-19/h5-13,16-17H,14-15H2,1-4H3,(H,23,26)
InChIKeySFSGPMOJUXDWLW-UHFFFAOYSA-N
XLogP4.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 72430
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CID 122019
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CID 11444450
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CID 444425
CID 444425
CID 7272330
CID 7272330
CID 56947089
CID 56947089
CID 24898024
CID 24898024
CID 5289345
CID 5289345
CID 5311161
CID 5311161
CID 11702208
CID 11702208
CID 145865297
CID 145865297
CID 9837961
CID 9837961

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-1-oxopropan-2-yl]carbamate (CID 4877695) is benzyl N-[1-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-1-oxopropan-2-yl]carbamate is CC(NC(=O)OCc1ccccc1)C(=O)N(C)Cc1ccc(C(C)C)cc1.
What is the InChIKey of benzyl N-[1-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is SFSGPMOJUXDWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16(2)20-12-10-18(11-13-20)14-24(4)21(25)17(3)23-22(26)27-15-19-8-6-5-7-9-19/h5-13,16-17H,14-15H2,1-4H3,(H,23,26).
What are the key properties of benzyl N-[1-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-1-oxopropan-2-yl]carbamate?
benzyl N-[1-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 368.48 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 4877695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).