N-[2-(ethylamino)ethyl]-2-(phenylcarbamoylamino)propanamide

C14H22N4O2 — CID 119506823

IUPACN-[2-(ethylamino)ethyl]-2-(phenylcarbamoylamino)propanamide
SMILESCCNCCNC(=O)C(C)NC(=O)Nc1ccccc1
InChIInChI=1S/C14H22N4O2/c1-3-15-9-10-16-13(19)11(2)17-14(20)18-12-7-5-4-6-8-12/h4-8,11,15H,3,9-10H2,1-2H3,(H,16,19)(H2,17,18,20)
InChIKeyQPCYVLKQWCWLKR-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.92
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-2-(phenylcarbamoylamino)propanamide

N-[2-(ethylamino)ethyl]-2-(phenylcarbamoylamino)propanamide (PubChem CID 119506823) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-(phenylcarbamoylamino)propanamide
PubChem CID119506823
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[2-(ethylamino)ethyl]-2-(phenylcarbamoylamino)propanamide
SMILESCCNCCNC(=O)C(C)NC(=O)Nc1ccccc1
InChIInChI=1S/C14H22N4O2/c1-3-15-9-10-16-13(19)11(2)17-14(20)18-12-7-5-4-6-8-12/h4-8,11,15H,3,9-10H2,1-2H3,(H,16,19)(H2,17,18,20)
InChIKeyQPCYVLKQWCWLKR-UHFFFAOYSA-N
XLogP0.92
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-(phenylcarbamoylamino)propanamide;hydrochloride
CID 119383618
N-[2-(2-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)propanamide
CID 78778978
1-ethyl-3-phenylurea;N-ethylpropan-1-amine
CID 70474820
N-[2-(ethylamino)ethyl]-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride
CID 119509598
N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415
1-[2-(2-hydroxypropylamino)ethyl]-3-phenylurea
CID 104593873
(2S)-N-ethyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanamide
CID 36515448
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(phenylcarbamoylamino)propanamide
CID 120945132
N-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51159202
1-(5-methylhexan-3-yl)-3-phenylurea
CID 19835712
1-[1-[2-(benzylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylurea
CID 55350809
(2S)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(phenylcarbamoylamino)propanamide
CID 94441497

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-(phenylcarbamoylamino)propanamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-(phenylcarbamoylamino)propanamide (CID 119506823) is N-[2-(ethylamino)ethyl]-2-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-(phenylcarbamoylamino)propanamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-(phenylcarbamoylamino)propanamide is CCNCCNC(=O)C(C)NC(=O)Nc1ccccc1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-(phenylcarbamoylamino)propanamide?
The InChIKey is QPCYVLKQWCWLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-15-9-10-16-13(19)11(2)17-14(20)18-12-7-5-4-6-8-12/h4-8,11,15H,3,9-10H2,1-2H3,(H,16,19)(H2,17,18,20).
What are the key properties of N-[2-(ethylamino)ethyl]-2-(phenylcarbamoylamino)propanamide?
N-[2-(ethylamino)ethyl]-2-(phenylcarbamoylamino)propanamide has a molecular weight of 278.36 g/mol, XLogP of 0.92, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 119506823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).