(1S,3R,4R)-3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-methoxycyclohexane-1-carboxamide

C19H31N3O2 — CID 154816431

IUPAC(1S,3R,4R)-3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-methoxycyclohexane-1-carboxamide
SMILESCCN(CCNC(=O)[C@H]1CC[C@@H](OC)[C@H](N)C1)c1cccc(C)c1
InChIInChI=1S/C19H31N3O2/c1-4-22(16-7-5-6-14(2)12-16)11-10-21-19(23)15-8-9-18(24-3)17(20)13-15/h5-7,12,15,17-18H,4,8-11,13,20H2,1-3H3,(H,21,23)/t15-,17+,18+/m0/s1
InChIKeyQUINIGNPNNNLPQ-CGTJXYLNSA-N
MW333.48 g/mol
LogP2.08
Rot. Bonds7

About (1S,3R,4R)-3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-methoxycyclohexane-1-carboxamide

(1S,3R,4R)-3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-methoxycyclohexane-1-carboxamide (PubChem CID 154816431) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (1S,3R,4R)-3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3R,4R)-3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-methoxycyclohexane-1-carboxamide
PubChem CID154816431
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(1S,3R,4R)-3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-methoxycyclohexane-1-carboxamide
SMILESCCN(CCNC(=O)[C@H]1CC[C@@H](OC)[C@H](N)C1)c1cccc(C)c1
InChIInChI=1S/C19H31N3O2/c1-4-22(16-7-5-6-14(2)12-16)11-10-21-19(23)15-8-9-18(24-3)17(20)13-15/h5-7,12,15,17-18H,4,8-11,13,20H2,1-3H3,(H,21,23)/t15-,17+,18+/m0/s1
InChIKeyQUINIGNPNNNLPQ-CGTJXYLNSA-N
XLogP2.08
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,3R,4R)-3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-methoxycyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119831760
3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119831762
2,2-dichloro-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopropane-1-carboxamide
CID 78833214
1-cyclopentyl-N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxopiperidine-3-carboxamide
CID 72860260
2-[cyclopropyl(ethyl)amino]-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 112826130
(2R)-N-[2-(N-ethyl-3-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119831742
N-[2-(N-ethyl-3-methylanilino)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27754119
N-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077282
(1S,3R,4R)-3-amino-N-[(3-hydroxyphenyl)methyl]-4-methoxycyclohexane-1-carboxamide
CID 155500098
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147165
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
(1S,3R,4R)-3-amino-N-[(4-fluoro-3-methylphenyl)methyl]-4-methoxycyclohexane-1-carboxamide
CID 155496425

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-methoxycyclohexane-1-carboxamide?
The IUPAC name of (1S,3R,4R)-3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-methoxycyclohexane-1-carboxamide (CID 154816431) is (1S,3R,4R)-3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3R,4R)-3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-methoxycyclohexane-1-carboxamide?
The canonical SMILES for (1S,3R,4R)-3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-methoxycyclohexane-1-carboxamide is CCN(CCNC(=O)[C@H]1CC[C@@H](OC)[C@H](N)C1)c1cccc(C)c1.
What is the InChIKey of (1S,3R,4R)-3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-methoxycyclohexane-1-carboxamide?
The InChIKey is QUINIGNPNNNLPQ-CGTJXYLNSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-4-22(16-7-5-6-14(2)12-16)11-10-21-19(23)15-8-9-18(24-3)17(20)13-15/h5-7,12,15,17-18H,4,8-11,13,20H2,1-3H3,(H,21,23)/t15-,17+,18+/m0/s1.
What are the key properties of (1S,3R,4R)-3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-methoxycyclohexane-1-carboxamide?
(1S,3R,4R)-3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-methoxycyclohexane-1-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 154816431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).