N-(3-anilino-3-oxopropyl)-3-(dimethylamino)pyrrolidine-1-carboxamide

C16H24N4O2 — CID 122565552

IUPACN-(3-anilino-3-oxopropyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
SMILESCN(C)C1CCN(C(=O)NCCC(=O)Nc2ccccc2)C1
InChIInChI=1S/C16H24N4O2/c1-19(2)14-9-11-20(12-14)16(22)17-10-8-15(21)18-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,17,22)(H,18,21)
InChIKeyPWTIFSHOWAKMQG-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.36
Rot. Bonds5

About N-(3-anilino-3-oxopropyl)-3-(dimethylamino)pyrrolidine-1-carboxamide

N-(3-anilino-3-oxopropyl)-3-(dimethylamino)pyrrolidine-1-carboxamide (PubChem CID 122565552) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(3-anilino-3-oxopropyl)-3-(dimethylamino)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-anilino-3-oxopropyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
PubChem CID122565552
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-(3-anilino-3-oxopropyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
SMILESCN(C)C1CCN(C(=O)NCCC(=O)Nc2ccccc2)C1
InChIInChI=1S/C16H24N4O2/c1-19(2)14-9-11-20(12-14)16(22)17-10-8-15(21)18-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,17,22)(H,18,21)
InChIKeyPWTIFSHOWAKMQG-UHFFFAOYSA-N
XLogP1.36
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-methylbutanoic acid
CID 80541126
2-[[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid
CID 55220965
4-[[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 63550040
3-acetamido-N-phenylpropanamide
CID 7946185
N-(3-anilino-3-oxopropyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 131908404
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-phenylpropanamide
CID 119785804
1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone
CID 174895598
N-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-4-phenylbenzamide
CID 24794963
(3R)-N-(1-benzothiophen-2-ylmethyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 125129924
3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 24676857
3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide
CID 113136332
4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide
CID 3451208

Frequently Asked Questions

What is the IUPAC name of N-(3-anilino-3-oxopropyl)-3-(dimethylamino)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-anilino-3-oxopropyl)-3-(dimethylamino)pyrrolidine-1-carboxamide (CID 122565552) is N-(3-anilino-3-oxopropyl)-3-(dimethylamino)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-anilino-3-oxopropyl)-3-(dimethylamino)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-anilino-3-oxopropyl)-3-(dimethylamino)pyrrolidine-1-carboxamide is CN(C)C1CCN(C(=O)NCCC(=O)Nc2ccccc2)C1.
What is the InChIKey of N-(3-anilino-3-oxopropyl)-3-(dimethylamino)pyrrolidine-1-carboxamide?
The InChIKey is PWTIFSHOWAKMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-19(2)14-9-11-20(12-14)16(22)17-10-8-15(21)18-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,17,22)(H,18,21).
What are the key properties of N-(3-anilino-3-oxopropyl)-3-(dimethylamino)pyrrolidine-1-carboxamide?
N-(3-anilino-3-oxopropyl)-3-(dimethylamino)pyrrolidine-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilino-3-oxopropyl)-3-(dimethylamino)pyrrolidine-1-carboxamide is sourced from PubChem (CID 122565552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).