N-cyclohexyl-2-[[(1R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]amino]acetamide

C18H32N4O — CID 97068249

IUPACN-cyclohexyl-2-[[(1R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]amino]acetamide
SMILESCc1nn(C(C)C)c(C)c1[C@@H](C)NCC(=O)NC1CCCCC1
InChIInChI=1S/C18H32N4O/c1-12(2)22-15(5)18(14(4)21-22)13(3)19-11-17(23)20-16-9-7-6-8-10-16/h12-13,16,19H,6-11H2,1-5H3,(H,20,23)/t13-/m1/s1
InChIKeyBONASKJNHQIESQ-CYBMUJFWSA-N
MW320.48 g/mol
LogP3.18
Rot. Bonds6

About N-cyclohexyl-2-[[(1R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]amino]acetamide

N-cyclohexyl-2-[[(1R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]amino]acetamide (PubChem CID 97068249) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is N-cyclohexyl-2-[[(1R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[(1R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]amino]acetamide
PubChem CID97068249
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC NameN-cyclohexyl-2-[[(1R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]amino]acetamide
SMILESCc1nn(C(C)C)c(C)c1[C@@H](C)NCC(=O)NC1CCCCC1
InChIInChI=1S/C18H32N4O/c1-12(2)22-15(5)18(14(4)21-22)13(3)19-11-17(23)20-16-9-7-6-8-10-16/h12-13,16,19H,6-11H2,1-5H3,(H,20,23)/t13-/m1/s1
InChIKeyBONASKJNHQIESQ-CYBMUJFWSA-N
XLogP3.18
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide
CID 62575829
N-cyclopentyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide
CID 61193344
N-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]cyclopropanamine
CID 115704638
N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372
N-cycloheptyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]acetamide
CID 81363494
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-cyclopropylpropanamide
CID 113248238
N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409773
N-cyclopropyl-2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]acetamide
CID 65192220
N-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide
CID 62574010
2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468322
(2R)-2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoic acid
CID 83194051
N-cycloheptyl-2-(1-hydroxypropan-2-ylamino)acetamide
CID 62573821

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[(1R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]amino]acetamide?
The IUPAC name of N-cyclohexyl-2-[[(1R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]amino]acetamide (CID 97068249) is N-cyclohexyl-2-[[(1R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]amino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[(1R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]amino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[(1R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]amino]acetamide is Cc1nn(C(C)C)c(C)c1[C@@H](C)NCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[(1R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]amino]acetamide?
The InChIKey is BONASKJNHQIESQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H32N4O/c1-12(2)22-15(5)18(14(4)21-22)13(3)19-11-17(23)20-16-9-7-6-8-10-16/h12-13,16,19H,6-11H2,1-5H3,(H,20,23)/t13-/m1/s1.
What are the key properties of N-cyclohexyl-2-[[(1R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]amino]acetamide?
N-cyclohexyl-2-[[(1R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]amino]acetamide has a molecular weight of 320.48 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[(1R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethyl]amino]acetamide is sourced from PubChem (CID 97068249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).