N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methyl-2-(methylamino)propanamide

C14H22N4O2 — CID 62836024

IUPACN-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)NC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H22N4O2/c1-9(17-12(19)14(2,3)16-4)10-5-7-11(8-6-10)18-13(15)20/h5-9,16H,1-4H3,(H,17,19)(H3,15,18,20)
InChIKeyBUZSMKCGWQERIV-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.35
Rot. Bonds5

About N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methyl-2-(methylamino)propanamide

N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methyl-2-(methylamino)propanamide (PubChem CID 62836024) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methyl-2-(methylamino)propanamide
PubChem CID62836024
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)NC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H22N4O2/c1-9(17-12(19)14(2,3)16-4)10-5-7-11(8-6-10)18-13(15)20/h5-9,16H,1-4H3,(H,17,19)(H3,15,18,20)
InChIKeyBUZSMKCGWQERIV-UHFFFAOYSA-N
XLogP1.35
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide
CID 63678917
2-methyl-2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 81409982
(2R)-2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119288550
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119288546
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide
CID 107903500
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylbutanamide
CID 43695581
[4-[1-(methoxyamino)ethyl]phenyl]urea
CID 82706415
[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
CID 81350343
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
[4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea
CID 103699485
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]pentanamide
CID 94066123
methyl (2S)-2-[1-[4-(carbamoylamino)phenyl]ethylamino]propanoate
CID 43786771

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methyl-2-(methylamino)propanamide (CID 62836024) is N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)NC(C)c1ccc(NC(N)=O)cc1.
What is the InChIKey of N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methyl-2-(methylamino)propanamide?
The InChIKey is BUZSMKCGWQERIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9(17-12(19)14(2,3)16-4)10-5-7-11(8-6-10)18-13(15)20/h5-9,16H,1-4H3,(H,17,19)(H3,15,18,20).
What are the key properties of N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methyl-2-(methylamino)propanamide?
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methyl-2-(methylamino)propanamide has a molecular weight of 278.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 62836024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).