N-[3-amino-1-(1H-imidazol-5-yl)-3-oxopropyl]-4-phenylbutanamide

C16H20N4O2 — CID 174518541

IUPACN-[3-amino-1-(1H-imidazol-5-yl)-3-oxopropyl]-4-phenylbutanamide
SMILESNC(=O)CC(NC(=O)CCCc1ccccc1)c1cnc[nH]1
InChIInChI=1S/C16H20N4O2/c17-15(21)9-13(14-10-18-11-19-14)20-16(22)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10-11,13H,4,7-9H2,(H2,17,21)(H,18,19)(H,20,22)
InChIKeyAMTIWAUDPOMZRW-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.47
Rot. Bonds8

About N-[3-amino-1-(1H-imidazol-5-yl)-3-oxopropyl]-4-phenylbutanamide

N-[3-amino-1-(1H-imidazol-5-yl)-3-oxopropyl]-4-phenylbutanamide (PubChem CID 174518541) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[3-amino-1-(1H-imidazol-5-yl)-3-oxopropyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[3-amino-1-(1H-imidazol-5-yl)-3-oxopropyl]-4-phenylbutanamide
PubChem CID174518541
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[3-amino-1-(1H-imidazol-5-yl)-3-oxopropyl]-4-phenylbutanamide
SMILESNC(=O)CC(NC(=O)CCCc1ccccc1)c1cnc[nH]1
InChIInChI=1S/C16H20N4O2/c17-15(21)9-13(14-10-18-11-19-14)20-16(22)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10-11,13H,4,7-9H2,(H2,17,21)(H,18,19)(H,20,22)
InChIKeyAMTIWAUDPOMZRW-UHFFFAOYSA-N
XLogP1.47
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1H-imidazol-5-yl)-6-phenylhexoxy]urea
CID 57170017
3-cyclopropyl-3-(4-phenylbutanoylamino)propanoic acid
CID 81361645
N-[(1R)-3-amino-3-oxo-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-4-phenylbutanamide
CID 164574478
N-(3-amino-3-oxo-1-phenylpropyl)-4-chlorobutanamide
CID 174412300
2-(3-aminopropanoylamino)-2-(1H-imidazol-5-yl)acetic acid
CID 10176709
2-phenylethyl 2-(1H-imidazol-5-yl)propanoate
CID 70010888
3-[5-[4-(aminomethyl)phenyl]pentanoylamino]-3-phenylpropanoic acid
CID 19757308
N-[(1R)-2-hydroxy-1-phenylethyl]-5-phenylpentanamide
CID 59924200
N-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide
CID 65189008
4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 7346867
benzyl N-[(1S)-1-(1H-imidazol-5-yl)ethyl]carbamate
CID 102036199
(2S,3R)-3,5-diamino-2-hydroxy-5-oxo-2-(4-phenylbutanoylamino)pentanoic acid
CID 70581925

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-1-(1H-imidazol-5-yl)-3-oxopropyl]-4-phenylbutanamide?
The IUPAC name of N-[3-amino-1-(1H-imidazol-5-yl)-3-oxopropyl]-4-phenylbutanamide (CID 174518541) is N-[3-amino-1-(1H-imidazol-5-yl)-3-oxopropyl]-4-phenylbutanamide.
What is the SMILES notation for N-[3-amino-1-(1H-imidazol-5-yl)-3-oxopropyl]-4-phenylbutanamide?
The canonical SMILES for N-[3-amino-1-(1H-imidazol-5-yl)-3-oxopropyl]-4-phenylbutanamide is NC(=O)CC(NC(=O)CCCc1ccccc1)c1cnc[nH]1.
What is the InChIKey of N-[3-amino-1-(1H-imidazol-5-yl)-3-oxopropyl]-4-phenylbutanamide?
The InChIKey is AMTIWAUDPOMZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-15(21)9-13(14-10-18-11-19-14)20-16(22)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10-11,13H,4,7-9H2,(H2,17,21)(H,18,19)(H,20,22).
What are the key properties of N-[3-amino-1-(1H-imidazol-5-yl)-3-oxopropyl]-4-phenylbutanamide?
N-[3-amino-1-(1H-imidazol-5-yl)-3-oxopropyl]-4-phenylbutanamide has a molecular weight of 300.36 g/mol, XLogP of 1.47, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-1-(1H-imidazol-5-yl)-3-oxopropyl]-4-phenylbutanamide is sourced from PubChem (CID 174518541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).