(2S)-N-carbamoyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide

C15H21N3O3 — CID 8770549

IUPAC(2S)-N-carbamoyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide
SMILESCOc1ccc(CN(C2CC2)[C@@H](C)C(=O)NC(N)=O)cc1
InChIInChI=1S/C15H21N3O3/c1-10(14(19)17-15(16)20)18(12-5-6-12)9-11-3-7-13(21-2)8-4-11/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H3,16,17,19,20)/t10-/m0/s1
InChIKeyZPUDPOIRWWAHOP-JTQLQIEISA-N
MW291.35 g/mol
LogP1.24
Rot. Bonds6

About (2S)-N-carbamoyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide

(2S)-N-carbamoyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide (PubChem CID 8770549) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide
PubChem CID8770549
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2S)-N-carbamoyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide
SMILESCOc1ccc(CN(C2CC2)[C@@H](C)C(=O)NC(N)=O)cc1
InChIInChI=1S/C15H21N3O3/c1-10(14(19)17-15(16)20)18(12-5-6-12)9-11-3-7-13(21-2)8-4-11/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H3,16,17,19,20)/t10-/m0/s1
InChIKeyZPUDPOIRWWAHOP-JTQLQIEISA-N
XLogP1.24
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 8770830
(2R)-N-(4-acetylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide
CID 8770183
(2S)-N-cyclopropyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-phenylacetamide
CID 8770772
N-[(4-methoxyphenyl)methyl]-N-propan-2-ylcyclopentanamine
CID 138519134
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 46614381
(2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 8760985
5-(carbamoylamino)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pentanamide
CID 31449017
2-[3-aminopropyl(cyclopropyl)amino]-N-carbamoylpropanamide
CID 43137524
4-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]benzamide
CID 36965111
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 60686602
N-carbamoyl-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide
CID 47091691

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide?
The IUPAC name of (2S)-N-carbamoyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide (CID 8770549) is (2S)-N-carbamoyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide?
The canonical SMILES for (2S)-N-carbamoyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide is COc1ccc(CN(C2CC2)[C@@H](C)C(=O)NC(N)=O)cc1.
What is the InChIKey of (2S)-N-carbamoyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide?
The InChIKey is ZPUDPOIRWWAHOP-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(14(19)17-15(16)20)18(12-5-6-12)9-11-3-7-13(21-2)8-4-11/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H3,16,17,19,20)/t10-/m0/s1.
What are the key properties of (2S)-N-carbamoyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide?
(2S)-N-carbamoyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide has a molecular weight of 291.35 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide is sourced from PubChem (CID 8770549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).