N-[(2R)-1-[[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide

C25H41N3O3 — CID 30750639

IUPACN-[(2R)-1-[[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCCN(CC)[C@H](CNC(=O)[C@H](NC(=O)C1CCCCC1)C(C)C)c1cccc(OC)c1
InChIInChI=1S/C25H41N3O3/c1-6-28(7-2)22(20-14-11-15-21(16-20)31-5)17-26-25(30)23(18(3)4)27-24(29)19-12-9-8-10-13-19/h11,14-16,18-19,22-23H,6-10,12-13,17H2,1-5H3,(H,26,30)(H,27,29)/t22-,23-/m1/s1
InChIKeyUUPJTJGJUZKZQU-DHIUTWEWSA-N
MW431.62 g/mol
LogP3.92
Rot. Bonds11

About N-[(2R)-1-[[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide

N-[(2R)-1-[[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide (PubChem CID 30750639) has the molecular formula C25H41N3O3 and a molecular weight of 431.62 g/mol. Its IUPAC name is N-[(2R)-1-[[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
PubChem CID30750639
Molecular FormulaC25H41N3O3
Molecular Weight431.62 g/mol
Exact Mass431.31
IUPAC NameN-[(2R)-1-[[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCCN(CC)[C@H](CNC(=O)[C@H](NC(=O)C1CCCCC1)C(C)C)c1cccc(OC)c1
InChIInChI=1S/C25H41N3O3/c1-6-28(7-2)22(20-14-11-15-21(16-20)31-5)17-26-25(30)23(18(3)4)27-24(29)19-12-9-8-10-13-19/h11,14-16,18-19,22-23H,6-10,12-13,17H2,1-5H3,(H,26,30)(H,27,29)/t22-,23-/m1/s1
InChIKeyUUPJTJGJUZKZQU-DHIUTWEWSA-N
XLogP3.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.62
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 43046953
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 134032738
3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119837688
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 60562956
3-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55836468
1-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119837675
N-[1-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 43047848
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60580471
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
3-(diethylamino)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 166217159
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56516620
N-[2-[[N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111927620

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2R)-1-[[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide (CID 30750639) is N-[(2R)-1-[[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2R)-1-[[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2R)-1-[[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide is CCN(CC)[C@H](CNC(=O)[C@H](NC(=O)C1CCCCC1)C(C)C)c1cccc(OC)c1.
What is the InChIKey of N-[(2R)-1-[[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
The InChIKey is UUPJTJGJUZKZQU-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H41N3O3/c1-6-28(7-2)22(20-14-11-15-21(16-20)31-5)17-26-25(30)23(18(3)4)27-24(29)19-12-9-8-10-13-19/h11,14-16,18-19,22-23H,6-10,12-13,17H2,1-5H3,(H,26,30)(H,27,29)/t22-,23-/m1/s1.
What are the key properties of N-[(2R)-1-[[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
N-[(2R)-1-[[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide has a molecular weight of 431.62 g/mol, XLogP of 3.92, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 30750639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).