2-[[2-[benzyl-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide

C20H31N3O2 — CID 8913936

IUPAC2-[[2-[benzyl-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1
InChIInChI=1S/C20H31N3O2/c1-15(2)21-19(24)13-22(4)14-20(25)23(16(3)18-10-11-18)12-17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3,(H,21,24)/t16-/m1/s1
InChIKeyKHLUVPCKZMCKIU-MRXNPFEDSA-N
MW345.49 g/mol
LogP2.27
Rot. Bonds9

About 2-[[2-[benzyl-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide

2-[[2-[benzyl-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 8913936) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[[2-[benzyl-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-[benzyl-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
PubChem CID8913936
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-[[2-[benzyl-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1
InChIInChI=1S/C20H31N3O2/c1-15(2)21-19(24)13-22(4)14-20(25)23(16(3)18-10-11-18)12-17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3,(H,21,24)/t16-/m1/s1
InChIKeyKHLUVPCKZMCKIU-MRXNPFEDSA-N
XLogP2.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[benzyl-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide with MolForge

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Related Compounds

2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
2-amino-N-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]acetamide
CID 60939851
3-amino-N-benzyl-N-(1-cyclopropylethyl)propanamide;hydrochloride
CID 119265819
N-benzyl-N-(1-cyclopropylethyl)-4-hydroxypentanamide
CID 79200111
N-benzyl-N-(1-cyclopropylethyl)pentanamide
CID 78805275
N-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide
CID 62839563
N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1-cyclopropylethyl)acetamide
CID 75854502
N-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide
CID 60592231
N-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide
CID 60948375
3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide
CID 119948804
4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride
CID 119265829
N-benzyl-N-(1-cyclopropylethyl)-2-(2-methoxyethylamino)acetamide
CID 78913957

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzyl-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-[benzyl-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide (CID 8913936) is 2-[[2-[benzyl-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-[benzyl-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-[benzyl-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1.
What is the InChIKey of 2-[[2-[benzyl-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is KHLUVPCKZMCKIU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15(2)21-19(24)13-22(4)14-20(25)23(16(3)18-10-11-18)12-17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3,(H,21,24)/t16-/m1/s1.
What are the key properties of 2-[[2-[benzyl-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
2-[[2-[benzyl-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 345.49 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzyl-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 8913936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).