3-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-ethyl-2,2-dimethylpropanamide

C19H29ClN4O2 — CID 146130178

IUPAC3-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-ethyl-2,2-dimethylpropanamide
SMILESCCNC(=O)C(C)(C)CNC(=O)NCC1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H29ClN4O2/c1-4-21-17(25)19(2,3)13-23-18(26)22-11-14-9-10-24(12-14)16-7-5-15(20)6-8-16/h5-8,14H,4,9-13H2,1-3H3,(H,21,25)(H2,22,23,26)
InChIKeyLAJFOMRGSWIWRZ-UHFFFAOYSA-N
MW380.92 g/mol
LogP2.63
Rot. Bonds7

About 3-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-ethyl-2,2-dimethylpropanamide

3-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-ethyl-2,2-dimethylpropanamide (PubChem CID 146130178) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 3-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-ethyl-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-ethyl-2,2-dimethylpropanamide
PubChem CID146130178
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC Name3-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-ethyl-2,2-dimethylpropanamide
SMILESCCNC(=O)C(C)(C)CNC(=O)NCC1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H29ClN4O2/c1-4-21-17(25)19(2,3)13-23-18(26)22-11-14-9-10-24(12-14)16-7-5-15(20)6-8-16/h5-8,14H,4,9-13H2,1-3H3,(H,21,25)(H2,22,23,26)
InChIKeyLAJFOMRGSWIWRZ-UHFFFAOYSA-N
XLogP2.63
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 94799317
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide
CID 110640634
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 47445976
N-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide
CID 86993830
1-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-[(3S)-1-methylpiperidin-3-yl]urea
CID 95140290
1-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-[(3S)-1-methylpiperidin-3-yl]urea
CID 124839812
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 166217219
N-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide
CID 94814610
2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 56526680
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine-1-carboxamide
CID 166184698
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylsulfonylbenzamide
CID 136579315

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-ethyl-2,2-dimethylpropanamide?
The IUPAC name of 3-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-ethyl-2,2-dimethylpropanamide (CID 146130178) is 3-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-ethyl-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-ethyl-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-ethyl-2,2-dimethylpropanamide is CCNC(=O)C(C)(C)CNC(=O)NCC1CCN(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-ethyl-2,2-dimethylpropanamide?
The InChIKey is LAJFOMRGSWIWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4O2/c1-4-21-17(25)19(2,3)13-23-18(26)22-11-14-9-10-24(12-14)16-7-5-15(20)6-8-16/h5-8,14H,4,9-13H2,1-3H3,(H,21,25)(H2,22,23,26).
What are the key properties of 3-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-ethyl-2,2-dimethylpropanamide?
3-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-ethyl-2,2-dimethylpropanamide has a molecular weight of 380.92 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-ethyl-2,2-dimethylpropanamide is sourced from PubChem (CID 146130178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).