N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(phenylcarbamoylamino)propanamide

C15H22N4O3 — CID 120945132

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(phenylcarbamoylamino)propanamide
SMILESCC(NC(=O)Nc1ccccc1)C(=O)NCC1CNCC1O
InChIInChI=1S/C15H22N4O3/c1-10(14(21)17-8-11-7-16-9-13(11)20)18-15(22)19-12-5-3-2-4-6-12/h2-6,10-11,13,16,20H,7-9H2,1H3,(H,17,21)(H2,18,19,22)
InChIKeyNZBOLEYLQRNHJB-UHFFFAOYSA-N
MW306.37 g/mol
LogP-0.11
Rot. Bonds5

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(phenylcarbamoylamino)propanamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(phenylcarbamoylamino)propanamide (PubChem CID 120945132) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(phenylcarbamoylamino)propanamide
PubChem CID120945132
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(phenylcarbamoylamino)propanamide
SMILESCC(NC(=O)Nc1ccccc1)C(=O)NCC1CNCC1O
InChIInChI=1S/C15H22N4O3/c1-10(14(21)17-8-11-7-16-9-13(11)20)18-15(22)19-12-5-3-2-4-6-12/h2-6,10-11,13,16,20H,7-9H2,1H3,(H,17,21)(H2,18,19,22)
InChIKeyNZBOLEYLQRNHJB-UHFFFAOYSA-N
XLogP-0.11
TPSA102.49 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide
CID 120948957
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide
CID 120948053
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120943789
N-(2-aminoethyl)-2-(phenylcarbamoylamino)propanamide;hydrochloride
CID 119383618
N-[2-(ethylamino)ethyl]-2-(phenylcarbamoylamino)propanamide
CID 119506823
N-[(2S)-1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120943537
N-[2-(2-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)propanamide
CID 78778978
N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylpropanamide
CID 120948169
2-[ethyl(methyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;dihydrochloride
CID 120943741
2,6-difluoro-N-[(2S)-1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide;hydrochloride
CID 120947312
N-(2-amino-1-cyclopropylethyl)-2-(phenylcarbamoylamino)propanamide
CID 119615052

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(phenylcarbamoylamino)propanamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(phenylcarbamoylamino)propanamide (CID 120945132) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(phenylcarbamoylamino)propanamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(phenylcarbamoylamino)propanamide is CC(NC(=O)Nc1ccccc1)C(=O)NCC1CNCC1O.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(phenylcarbamoylamino)propanamide?
The InChIKey is NZBOLEYLQRNHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10(14(21)17-8-11-7-16-9-13(11)20)18-15(22)19-12-5-3-2-4-6-12/h2-6,10-11,13,16,20H,7-9H2,1H3,(H,17,21)(H2,18,19,22).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(phenylcarbamoylamino)propanamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(phenylcarbamoylamino)propanamide has a molecular weight of 306.37 g/mol, XLogP of -0.11, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 120945132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).