N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(ethylamino)-2-methylpropanamide

C17H26N2O2 — CID 62837500

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)NC(c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C17H26N2O2/c1-4-18-11-12(2)17(20)19-16(13-5-6-13)14-7-9-15(21-3)10-8-14/h7-10,12-13,16,18H,4-6,11H2,1-3H3,(H,19,20)
InChIKeyDIHOSZGJCMAZIG-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.51
Rot. Bonds8

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(ethylamino)-2-methylpropanamide

N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(ethylamino)-2-methylpropanamide (PubChem CID 62837500) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(ethylamino)-2-methylpropanamide
PubChem CID62837500
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)NC(c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C17H26N2O2/c1-4-18-11-12(2)17(20)19-16(13-5-6-13)14-7-9-15(21-3)10-8-14/h7-10,12-13,16,18H,4-6,11H2,1-3H3,(H,19,20)
InChIKeyDIHOSZGJCMAZIG-UHFFFAOYSA-N
XLogP2.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119275692
(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide
CID 107569374
2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 65229389
2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 65229390
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
N-[cyclopropyl(phenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 46509264
2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 115575468
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate
CID 79348785

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(ethylamino)-2-methylpropanamide (CID 62837500) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(ethylamino)-2-methylpropanamide is CCNCC(C)C(=O)NC(c1ccc(OC)cc1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(ethylamino)-2-methylpropanamide?
The InChIKey is DIHOSZGJCMAZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-18-11-12(2)17(20)19-16(13-5-6-13)14-7-9-15(21-3)10-8-14/h7-10,12-13,16,18H,4-6,11H2,1-3H3,(H,19,20).
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(ethylamino)-2-methylpropanamide?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(ethylamino)-2-methylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 62837500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).