3-(2-aminoethoxy)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]benzamide

C16H22N4O2 — CID 126431315

IUPAC3-(2-aminoethoxy)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]benzamide
SMILESCC[C@@H](NC(=O)c1cccc(OCCN)c1)c1ncc(C)[nH]1
InChIInChI=1S/C16H22N4O2/c1-3-14(15-18-10-11(2)19-15)20-16(21)12-5-4-6-13(9-12)22-8-7-17/h4-6,9-10,14H,3,7-8,17H2,1-2H3,(H,18,19)(H,20,21)/t14-/m1/s1
InChIKeyDLHDGSMNXMXIEQ-CQSZACIVSA-N
MW302.38 g/mol
LogP1.94
Rot. Bonds7

About 3-(2-aminoethoxy)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]benzamide

3-(2-aminoethoxy)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]benzamide (PubChem CID 126431315) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]benzamide
PubChem CID126431315
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3-(2-aminoethoxy)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]benzamide
SMILESCC[C@@H](NC(=O)c1cccc(OCCN)c1)c1ncc(C)[nH]1
InChIInChI=1S/C16H22N4O2/c1-3-14(15-18-10-11(2)19-15)20-16(21)12-5-4-6-13(9-12)22-8-7-17/h4-6,9-10,14H,3,7-8,17H2,1-2H3,(H,18,19)(H,20,21)/t14-/m1/s1
InChIKeyDLHDGSMNXMXIEQ-CQSZACIVSA-N
XLogP1.94
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]thiophene-2-carboxamide
CID 99933460
2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1-benzofuran-5-carboxamide
CID 72845547
3-fluoro-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-5-(6-oxo-1H-pyridin-2-yl)benzamide
CID 170511574
3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
3-(2-amino-2-oxoethoxy)-N-[1-(4-chlorophenyl)propyl]benzamide
CID 134048764
1-(difluoromethyl)-5-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]pyrrole-2-carboxamide
CID 126432423
3-[2-oxo-2-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]amino]ethoxy]benzamide
CID 52516393
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[3-(trifluoromethyl)phenyl]acetamide
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2-[(3-propoxybenzoyl)amino]butanoic acid
CID 62920008
3-(2-aminoethoxy)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
CID 136998459
N-(3-oxobutan-2-yl)-3-propoxybenzamide
CID 64996689
N-[(2S)-1-aminopropan-2-yl]-3-(3-methoxypropoxy)benzamide
CID 120508145

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]benzamide?
The IUPAC name of 3-(2-aminoethoxy)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]benzamide (CID 126431315) is 3-(2-aminoethoxy)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]benzamide.
What is the SMILES notation for 3-(2-aminoethoxy)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]benzamide?
The canonical SMILES for 3-(2-aminoethoxy)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]benzamide is CC[C@@H](NC(=O)c1cccc(OCCN)c1)c1ncc(C)[nH]1.
What is the InChIKey of 3-(2-aminoethoxy)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]benzamide?
The InChIKey is DLHDGSMNXMXIEQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-14(15-18-10-11(2)19-15)20-16(21)12-5-4-6-13(9-12)22-8-7-17/h4-6,9-10,14H,3,7-8,17H2,1-2H3,(H,18,19)(H,20,21)/t14-/m1/s1.
What are the key properties of 3-(2-aminoethoxy)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]benzamide?
3-(2-aminoethoxy)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]benzamide has a molecular weight of 302.38 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]benzamide is sourced from PubChem (CID 126431315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).