2-(cyclopropylmethylamino)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide

C17H22N4O — CID 119838755

IUPAC2-(cyclopropylmethylamino)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CNCC1CC1)NCc1ccccc1Cn1ccnc1
InChIInChI=1S/C17H22N4O/c22-17(11-19-9-14-5-6-14)20-10-15-3-1-2-4-16(15)12-21-8-7-18-13-21/h1-4,7-8,13-14,19H,5-6,9-12H2,(H,20,22)
InChIKeyDJZUXOPMMCTRFC-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.55
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide

2-(cyclopropylmethylamino)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 119838755) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID119838755
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-(cyclopropylmethylamino)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CNCC1CC1)NCc1ccccc1Cn1ccnc1
InChIInChI=1S/C17H22N4O/c22-17(11-19-9-14-5-6-14)20-10-15-3-1-2-4-16(15)12-21-8-7-18-13-21/h1-4,7-8,13-14,19H,5-6,9-12H2,(H,20,22)
InChIKeyDJZUXOPMMCTRFC-UHFFFAOYSA-N
XLogP1.55
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119697944
2-(cyclopropylmethylamino)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119846776
4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide
CID 120564401
3-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119838744
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-quinolin-8-ylacetamide
CID 55507398
methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate
CID 70825151
2-(cyclopropylmethylamino)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 119756337
2-(cyclopropylmethylamino)-N-[[2-(propoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119734225
2-(cyclopropylmethylamino)-N-[2-(2-imidazol-1-ylethoxy)phenyl]acetamide;dihydrochloride
CID 119862195
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 39518233
2-(cyclopropylmethylamino)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide;dihydrochloride
CID 119850355
1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 55472347

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide (CID 119838755) is 2-(cyclopropylmethylamino)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide is O=C(CNCC1CC1)NCc1ccccc1Cn1ccnc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is DJZUXOPMMCTRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c22-17(11-19-9-14-5-6-14)20-10-15-3-1-2-4-16(15)12-21-8-7-18-13-21/h1-4,7-8,13-14,19H,5-6,9-12H2,(H,20,22).
What are the key properties of 2-(cyclopropylmethylamino)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(cyclopropylmethylamino)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 298.39 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 119838755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).