3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide

C19H23N3O2 — CID 40798663

IUPAC3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide
SMILESC[C@H](CNC(=O)CCNC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-15(16-8-4-2-5-9-16)14-21-18(23)12-13-20-19(24)22-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,21,23)(H2,20,22,24)/t15-/m1/s1
InChIKeyQXZGRMRGRKMHDI-OAHLLOKOSA-N
MW325.41 g/mol
LogP3.12
Rot. Bonds7

About 3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide

3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide (PubChem CID 40798663) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide.

Molecular Properties

Compound Name3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide
PubChem CID40798663
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide
SMILESC[C@H](CNC(=O)CCNC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-15(16-8-4-2-5-9-16)14-21-18(23)12-13-20-19(24)22-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,21,23)(H2,20,22,24)/t15-/m1/s1
InChIKeyQXZGRMRGRKMHDI-OAHLLOKOSA-N
XLogP3.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-(phenylcarbamoylamino)propanoate
CID 7805374
4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide
CID 24636628
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 24676857
1-(3-methoxyphenyl)-3-(2-phenylpropyl)urea
CID 51328278
N-[2-(dimethylamino)-1-phenylethyl]-3-(phenylcarbamoylamino)propanamide
CID 24504307
1-phenyl-3-(2-phenylpropyl)thiourea
CID 115570733
4-nitro-N-[3-oxo-3-[[(2R)-2-phenylpropyl]amino]propyl]benzamide
CID 9301414
4-nitro-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide
CID 18159360
1-[2-(2-hydroxypropylamino)ethyl]-3-phenylurea
CID 104593873
2-chloro-N-(2-phenylpropylcarbamoyl)acetamide
CID 104592070
1-(2-chloropropyl)-3-phenylurea
CID 70181020

Frequently Asked Questions

What is the IUPAC name of 3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide?
The IUPAC name of 3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide (CID 40798663) is 3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide.
What is the SMILES notation for 3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide?
The canonical SMILES for 3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide is C[C@H](CNC(=O)CCNC(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide?
The InChIKey is QXZGRMRGRKMHDI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15(16-8-4-2-5-9-16)14-21-18(23)12-13-20-19(24)22-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,21,23)(H2,20,22,24)/t15-/m1/s1.
What are the key properties of 3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide?
3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide has a molecular weight of 325.41 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide is sourced from PubChem (CID 40798663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).