N-[4-[(1R)-1-[[methyl-[[(3R)-1-methylpyrrolidin-3-yl]methyl]carbamoyl]amino]ethyl]phenyl]propanamide

C19H30N4O2 — CID 95598590

IUPACN-[4-[(1R)-1-[[methyl-[[(3R)-1-methylpyrrolidin-3-yl]methyl]carbamoyl]amino]ethyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc([C@@H](C)NC(=O)N(C)C[C@@H]2CCN(C)C2)cc1
InChIInChI=1S/C19H30N4O2/c1-5-18(24)21-17-8-6-16(7-9-17)14(2)20-19(25)23(4)13-15-10-11-22(3)12-15/h6-9,14-15H,5,10-13H2,1-4H3,(H,20,25)(H,21,24)/t14-,15-/m1/s1
InChIKeyWKCWVBXWKKOAIF-HUUCEWRRSA-N
MW346.48 g/mol
LogP2.69
Rot. Bonds6

About N-[4-[(1R)-1-[[methyl-[[(3R)-1-methylpyrrolidin-3-yl]methyl]carbamoyl]amino]ethyl]phenyl]propanamide

N-[4-[(1R)-1-[[methyl-[[(3R)-1-methylpyrrolidin-3-yl]methyl]carbamoyl]amino]ethyl]phenyl]propanamide (PubChem CID 95598590) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[4-[(1R)-1-[[methyl-[[(3R)-1-methylpyrrolidin-3-yl]methyl]carbamoyl]amino]ethyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-[[methyl-[[(3R)-1-methylpyrrolidin-3-yl]methyl]carbamoyl]amino]ethyl]phenyl]propanamide
PubChem CID95598590
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[4-[(1R)-1-[[methyl-[[(3R)-1-methylpyrrolidin-3-yl]methyl]carbamoyl]amino]ethyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc([C@@H](C)NC(=O)N(C)C[C@@H]2CCN(C)C2)cc1
InChIInChI=1S/C19H30N4O2/c1-5-18(24)21-17-8-6-16(7-9-17)14(2)20-19(25)23(4)13-15-10-11-22(3)12-15/h6-9,14-15H,5,10-13H2,1-4H3,(H,20,25)(H,21,24)/t14-,15-/m1/s1
InChIKeyWKCWVBXWKKOAIF-HUUCEWRRSA-N
XLogP2.69
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[(1R)-1-[[methyl-[[(3R)-1-methylpyrrolidin-3-yl]methyl]carbamoyl]amino]ethyl]phenyl]propanamide with MolForge

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Related Compounds

3-[4-(aminomethyl)phenyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 63274287
(2S)-3-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]amino]pentanoic acid
CID 63275109
(2S,3S)-3-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]amino]pentanoic acid
CID 63275285
4-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
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1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea
CID 62854786
N-[4-[(1R)-1-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]ethyl]phenyl]propanamide
CID 95968967
3-[1-(4-bromophenyl)ethyl]-1-(cyclohexylmethyl)-1-methylurea
CID 112831842
(2S)-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]amino]pentanedioic acid
CID 63274978
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
N-(4-acetamidophenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110861482
3-cyclopropyl-N-[(1S)-1-[4-(propanoylamino)phenyl]ethyl]thiophene-2-carboxamide
CID 94817248
N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63275836

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-[[methyl-[[(3R)-1-methylpyrrolidin-3-yl]methyl]carbamoyl]amino]ethyl]phenyl]propanamide?
The IUPAC name of N-[4-[(1R)-1-[[methyl-[[(3R)-1-methylpyrrolidin-3-yl]methyl]carbamoyl]amino]ethyl]phenyl]propanamide (CID 95598590) is N-[4-[(1R)-1-[[methyl-[[(3R)-1-methylpyrrolidin-3-yl]methyl]carbamoyl]amino]ethyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[(1R)-1-[[methyl-[[(3R)-1-methylpyrrolidin-3-yl]methyl]carbamoyl]amino]ethyl]phenyl]propanamide?
The canonical SMILES for N-[4-[(1R)-1-[[methyl-[[(3R)-1-methylpyrrolidin-3-yl]methyl]carbamoyl]amino]ethyl]phenyl]propanamide is CCC(=O)Nc1ccc([C@@H](C)NC(=O)N(C)C[C@@H]2CCN(C)C2)cc1.
What is the InChIKey of N-[4-[(1R)-1-[[methyl-[[(3R)-1-methylpyrrolidin-3-yl]methyl]carbamoyl]amino]ethyl]phenyl]propanamide?
The InChIKey is WKCWVBXWKKOAIF-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-5-18(24)21-17-8-6-16(7-9-17)14(2)20-19(25)23(4)13-15-10-11-22(3)12-15/h6-9,14-15H,5,10-13H2,1-4H3,(H,20,25)(H,21,24)/t14-,15-/m1/s1.
What are the key properties of N-[4-[(1R)-1-[[methyl-[[(3R)-1-methylpyrrolidin-3-yl]methyl]carbamoyl]amino]ethyl]phenyl]propanamide?
N-[4-[(1R)-1-[[methyl-[[(3R)-1-methylpyrrolidin-3-yl]methyl]carbamoyl]amino]ethyl]phenyl]propanamide has a molecular weight of 346.48 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-[[methyl-[[(3R)-1-methylpyrrolidin-3-yl]methyl]carbamoyl]amino]ethyl]phenyl]propanamide is sourced from PubChem (CID 95598590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).