N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride

C17H30ClN3O2 — CID 119808786

IUPACN-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NC1CCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C17H29N3O2.ClH/c21-16(11-18-10-13-6-7-13)19-15-8-9-20(12-15)17(22)14-4-2-1-3-5-14;/h13-15,18H,1-12H2,(H,19,21);1H
InChIKeyJJKIQDRIXIZGEI-UHFFFAOYSA-N
MW343.90 g/mol
LogP1.71
Rot. Bonds6

About N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride

N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride (PubChem CID 119808786) has the molecular formula C17H30ClN3O2 and a molecular weight of 343.90 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
PubChem CID119808786
Molecular FormulaC17H30ClN3O2
Molecular Weight343.90 g/mol
Exact Mass343.20
IUPAC NameN-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NC1CCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C17H29N3O2.ClH/c21-16(11-18-10-13-6-7-13)19-15-8-9-20(12-15)17(22)14-4-2-1-3-5-14;/h13-15,18H,1-12H2,(H,19,21);1H
InChIKeyJJKIQDRIXIZGEI-UHFFFAOYSA-N
XLogP1.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-hydroxyacetamide
CID 143286863
N-cycloheptyl-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119674667
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanamide
CID 110871450
cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81483591
N-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 95051673
N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 53016389
N-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(2-hydroxyphenyl)acetamide
CID 97014157
2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
CID 50988896
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119808791
cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 43747911
1-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 124588447
(2S)-2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide;hydrochloride
CID 119808784

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride (CID 119808786) is N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride is Cl.O=C(CNCC1CC1)NC1CCN(C(=O)C2CCCCC2)C1.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The InChIKey is JJKIQDRIXIZGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2.ClH/c21-16(11-18-10-13-6-7-13)19-15-8-9-20(12-15)17(22)14-4-2-1-3-5-14;/h13-15,18H,1-12H2,(H,19,21);1H.
What are the key properties of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride has a molecular weight of 343.90 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119808786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).