N-[2-(dimethylamino)-1-phenylethyl]-3-(phenylcarbamoylamino)propanamide

C20H26N4O2 — CID 24504307

IUPACN-[2-(dimethylamino)-1-phenylethyl]-3-(phenylcarbamoylamino)propanamide
SMILESCN(C)CC(NC(=O)CCNC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N4O2/c1-24(2)15-18(16-9-5-3-6-10-16)23-19(25)13-14-21-20(26)22-17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H,23,25)(H2,21,22,26)
InChIKeyGPOWHVOYEQNKBY-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.62
Rot. Bonds8

About N-[2-(dimethylamino)-1-phenylethyl]-3-(phenylcarbamoylamino)propanamide

N-[2-(dimethylamino)-1-phenylethyl]-3-(phenylcarbamoylamino)propanamide (PubChem CID 24504307) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)-1-phenylethyl]-3-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-1-phenylethyl]-3-(phenylcarbamoylamino)propanamide
PubChem CID24504307
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[2-(dimethylamino)-1-phenylethyl]-3-(phenylcarbamoylamino)propanamide
SMILESCN(C)CC(NC(=O)CCNC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N4O2/c1-24(2)15-18(16-9-5-3-6-10-16)23-19(25)13-14-21-20(26)22-17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H,23,25)(H2,21,22,26)
InChIKeyGPOWHVOYEQNKBY-UHFFFAOYSA-N
XLogP2.62
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[3-[[(1R)-2-(dimethylamino)-1-phenylethyl]amino]-3-oxopropyl]benzamide
CID 8937317
N-[2-(dimethylamino)-1-phenylethyl]-3-propan-2-yloxypropanamide
CID 86929497
3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide
CID 40798663
5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide
CID 82851272
1-[2-(dimethylamino)-1-phenylethyl]-3-(4-nitrophenyl)urea
CID 86910236
1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-1-phenylethyl]urea
CID 24528764
3-[(4-chlorophenyl)sulfonylamino]-N-[(1S)-2-(dimethylamino)-1-phenylethyl]propanamide
CID 8937587
4-chloro-N-[4-[[2-(dimethylamino)-1-phenylethyl]amino]-4-oxobutyl]benzamide
CID 86909670
1-[(1S)-2-(diethylamino)-1-phenylethyl]-3-phenylurea
CID 8933297
3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 24676857
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8936932
1-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea
CID 97314632

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-3-(phenylcarbamoylamino)propanamide?
The IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-3-(phenylcarbamoylamino)propanamide (CID 24504307) is N-[2-(dimethylamino)-1-phenylethyl]-3-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-1-phenylethyl]-3-(phenylcarbamoylamino)propanamide?
The canonical SMILES for N-[2-(dimethylamino)-1-phenylethyl]-3-(phenylcarbamoylamino)propanamide is CN(C)CC(NC(=O)CCNC(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-1-phenylethyl]-3-(phenylcarbamoylamino)propanamide?
The InChIKey is GPOWHVOYEQNKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-24(2)15-18(16-9-5-3-6-10-16)23-19(25)13-14-21-20(26)22-17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H,23,25)(H2,21,22,26).
What are the key properties of N-[2-(dimethylamino)-1-phenylethyl]-3-(phenylcarbamoylamino)propanamide?
N-[2-(dimethylamino)-1-phenylethyl]-3-(phenylcarbamoylamino)propanamide has a molecular weight of 354.45 g/mol, XLogP of 2.62, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-1-phenylethyl]-3-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 24504307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).