N-cyclopropyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide

C18H26N2O — CID 104974179

IUPACN-cyclopropyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide
SMILESO=C(CCCc1ccccc1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C18H26N2O/c21-18(10-4-8-15-6-2-1-3-7-15)20(17-11-12-17)14-16-9-5-13-19-16/h1-3,6-7,16-17,19H,4-5,8-14H2
InChIKeyGWVMMYUAFTUKAM-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.75
Rot. Bonds7

About N-cyclopropyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide

N-cyclopropyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide (PubChem CID 104974179) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-cyclopropyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide
PubChem CID104974179
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-cyclopropyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide
SMILESO=C(CCCc1ccccc1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C18H26N2O/c21-18(10-4-8-15-6-2-1-3-7-15)20(17-11-12-17)14-16-9-5-13-19-16/h1-3,6-7,16-17,19H,4-5,8-14H2
InChIKeyGWVMMYUAFTUKAM-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
CID 11382839
N-cyclopropyl-N-(piperidin-2-ylmethyl)-3-pyridin-4-ylpropanamide
CID 106626977
benzyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658752
benzyl-[[(2R)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658800
N-cyclopropyl-2-(2-hydroxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106599402
N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106608735
4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one
CID 70184380
2-anilino-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
CID 70971023
N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide
CID 63391462
N-cyclopropyl-3-(furan-2-yl)-N-(piperidin-2-ylmethyl)propanamide
CID 106626726
2-(4-bromophenyl)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974020
N-(azetidin-3-yl)-N-ethyl-4-phenylbutanamide
CID 66183611

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide?
The IUPAC name of N-cyclopropyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide (CID 104974179) is N-cyclopropyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide.
What is the SMILES notation for N-cyclopropyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide?
The canonical SMILES for N-cyclopropyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide is O=C(CCCc1ccccc1)N(CC1CCCN1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide?
The InChIKey is GWVMMYUAFTUKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c21-18(10-4-8-15-6-2-1-3-7-15)20(17-11-12-17)14-16-9-5-13-19-16/h1-3,6-7,16-17,19H,4-5,8-14H2.
What are the key properties of N-cyclopropyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide?
N-cyclopropyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide has a molecular weight of 286.42 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide is sourced from PubChem (CID 104974179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).