N-[(2S)-2-amino-3-oxobutyl]-2-[4-(1H-benzimidazol-4-ylmethoxy)phenyl]acetamide

C20H22N4O3 — CID 170132766

IUPACN-[(2S)-2-amino-3-oxobutyl]-2-[4-(1H-benzimidazol-4-ylmethoxy)phenyl]acetamide
SMILESCC(=O)[C@@H](N)CNC(=O)Cc1ccc(OCc2cccc3[nH]cnc23)cc1
InChIInChI=1S/C20H22N4O3/c1-13(25)17(21)10-22-19(26)9-14-5-7-16(8-6-14)27-11-15-3-2-4-18-20(15)24-12-23-18/h2-8,12,17H,9-11,21H2,1H3,(H,22,26)(H,23,24)/t17-/m0/s1
InChIKeyLOJYTMWKDMKCAA-KRWDZBQOSA-N
MW366.42 g/mol
LogP1.72
Rot. Bonds8

About N-[(2S)-2-amino-3-oxobutyl]-2-[4-(1H-benzimidazol-4-ylmethoxy)phenyl]acetamide

N-[(2S)-2-amino-3-oxobutyl]-2-[4-(1H-benzimidazol-4-ylmethoxy)phenyl]acetamide (PubChem CID 170132766) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(2S)-2-amino-3-oxobutyl]-2-[4-(1H-benzimidazol-4-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-3-oxobutyl]-2-[4-(1H-benzimidazol-4-ylmethoxy)phenyl]acetamide
PubChem CID170132766
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[(2S)-2-amino-3-oxobutyl]-2-[4-(1H-benzimidazol-4-ylmethoxy)phenyl]acetamide
SMILESCC(=O)[C@@H](N)CNC(=O)Cc1ccc(OCc2cccc3[nH]cnc23)cc1
InChIInChI=1S/C20H22N4O3/c1-13(25)17(21)10-22-19(26)9-14-5-7-16(8-6-14)27-11-15-3-2-4-18-20(15)24-12-23-18/h2-8,12,17H,9-11,21H2,1H3,(H,22,26)(H,23,24)/t17-/m0/s1
InChIKeyLOJYTMWKDMKCAA-KRWDZBQOSA-N
XLogP1.72
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-3-oxobutyl]-2-[4-(1H-benzimidazol-4-ylmethoxy)phenyl]acetamide?
The IUPAC name of N-[(2S)-2-amino-3-oxobutyl]-2-[4-(1H-benzimidazol-4-ylmethoxy)phenyl]acetamide (CID 170132766) is N-[(2S)-2-amino-3-oxobutyl]-2-[4-(1H-benzimidazol-4-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for N-[(2S)-2-amino-3-oxobutyl]-2-[4-(1H-benzimidazol-4-ylmethoxy)phenyl]acetamide?
The canonical SMILES for N-[(2S)-2-amino-3-oxobutyl]-2-[4-(1H-benzimidazol-4-ylmethoxy)phenyl]acetamide is CC(=O)[C@@H](N)CNC(=O)Cc1ccc(OCc2cccc3[nH]cnc23)cc1.
What is the InChIKey of N-[(2S)-2-amino-3-oxobutyl]-2-[4-(1H-benzimidazol-4-ylmethoxy)phenyl]acetamide?
The InChIKey is LOJYTMWKDMKCAA-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13(25)17(21)10-22-19(26)9-14-5-7-16(8-6-14)27-11-15-3-2-4-18-20(15)24-12-23-18/h2-8,12,17H,9-11,21H2,1H3,(H,22,26)(H,23,24)/t17-/m0/s1.
What are the key properties of N-[(2S)-2-amino-3-oxobutyl]-2-[4-(1H-benzimidazol-4-ylmethoxy)phenyl]acetamide?
N-[(2S)-2-amino-3-oxobutyl]-2-[4-(1H-benzimidazol-4-ylmethoxy)phenyl]acetamide has a molecular weight of 366.42 g/mol, XLogP of 1.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-3-oxobutyl]-2-[4-(1H-benzimidazol-4-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 170132766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).