3-(carbamoylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methylphenyl)propanamide

C21H28N4O3 — CID 87006829

IUPAC3-(carbamoylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1C(CC(=O)Nc1ccc(OCCN(C)C)cc1)NC(N)=O
InChIInChI=1S/C21H28N4O3/c1-15-6-4-5-7-18(15)19(24-21(22)27)14-20(26)23-16-8-10-17(11-9-16)28-13-12-25(2)3/h4-11,19H,12-14H2,1-3H3,(H,23,26)(H3,22,24,27)
InChIKeyKNMXRHZOEJZODT-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.67
Rot. Bonds9

About 3-(carbamoylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methylphenyl)propanamide

3-(carbamoylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methylphenyl)propanamide (PubChem CID 87006829) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methylphenyl)propanamide
PubChem CID87006829
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name3-(carbamoylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1C(CC(=O)Nc1ccc(OCCN(C)C)cc1)NC(N)=O
InChIInChI=1S/C21H28N4O3/c1-15-6-4-5-7-18(15)19(24-21(22)27)14-20(26)23-16-8-10-17(11-9-16)28-13-12-25(2)3/h4-11,19H,12-14H2,1-3H3,(H,23,26)(H3,22,24,27)
InChIKeyKNMXRHZOEJZODT-UHFFFAOYSA-N
XLogP2.67
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 54862434
4-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 54862447
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide
CID 87006868
3-(carbamoylamino)-3-(2-methylphenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
CID 112832869
N-(4-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342927
[4-[2-(dimethylamino)ethoxy]anilino]urea
CID 144637882
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111536806
N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119495043
N-(4-ethoxyphenyl)-3,3-diphenylpropanamide
CID 836173
3-(carbamoylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-3-(2-methylphenyl)propanamide
CID 86980661
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylpropanamide
CID 119844203
(2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide
CID 79013043

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methylphenyl)propanamide?
The IUPAC name of 3-(carbamoylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methylphenyl)propanamide (CID 87006829) is 3-(carbamoylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methylphenyl)propanamide?
The canonical SMILES for 3-(carbamoylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methylphenyl)propanamide is Cc1ccccc1C(CC(=O)Nc1ccc(OCCN(C)C)cc1)NC(N)=O.
What is the InChIKey of 3-(carbamoylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methylphenyl)propanamide?
The InChIKey is KNMXRHZOEJZODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-15-6-4-5-7-18(15)19(24-21(22)27)14-20(26)23-16-8-10-17(11-9-16)28-13-12-25(2)3/h4-11,19H,12-14H2,1-3H3,(H,23,26)(H3,22,24,27).
What are the key properties of 3-(carbamoylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methylphenyl)propanamide?
3-(carbamoylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methylphenyl)propanamide has a molecular weight of 384.48 g/mol, XLogP of 2.67, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 87006829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).