3-[(4-bromophenyl)carbamoylamino]-N-[2-(ethylamino)ethyl]propanamide

C14H21BrN4O2 — CID 119508627

IUPAC3-[(4-bromophenyl)carbamoylamino]-N-[2-(ethylamino)ethyl]propanamide
SMILESCCNCCNC(=O)CCNC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN4O2/c1-2-16-9-10-17-13(20)7-8-18-14(21)19-12-5-3-11(15)4-6-12/h3-6,16H,2,7-10H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyHWSAHVPFMFWHKP-UHFFFAOYSA-N
MW357.25 g/mol
LogP1.69
Rot. Bonds8

About 3-[(4-bromophenyl)carbamoylamino]-N-[2-(ethylamino)ethyl]propanamide

3-[(4-bromophenyl)carbamoylamino]-N-[2-(ethylamino)ethyl]propanamide (PubChem CID 119508627) has the molecular formula C14H21BrN4O2 and a molecular weight of 357.25 g/mol. Its IUPAC name is 3-[(4-bromophenyl)carbamoylamino]-N-[2-(ethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)carbamoylamino]-N-[2-(ethylamino)ethyl]propanamide
PubChem CID119508627
Molecular FormulaC14H21BrN4O2
Molecular Weight357.25 g/mol
Exact Mass356.08
IUPAC Name3-[(4-bromophenyl)carbamoylamino]-N-[2-(ethylamino)ethyl]propanamide
SMILESCCNCCNC(=O)CCNC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN4O2/c1-2-16-9-10-17-13(20)7-8-18-14(21)19-12-5-3-11(15)4-6-12/h3-6,16H,2,7-10H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyHWSAHVPFMFWHKP-UHFFFAOYSA-N
XLogP1.69
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 51.69
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

methyl 3-[(4-bromophenyl)carbamoylamino]propanoate
CID 47361141
4-(4-bromophenyl)sulfanyl-N-[2-(ethylamino)ethyl]butanamide
CID 119506311
3-[(4-bromophenyl)carbamoylamino]-N-(3,4-dimethylphenyl)propanamide
CID 55765106
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
CID 119739124
3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55796869
3-[(4-bromophenyl)carbamoylamino]-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 55773882
7-[(4-bromophenyl)carbamoylamino]heptanoic acid
CID 61190824
N-[3-[(4-bromophenyl)carbamoylamino]propyl]formamide
CID 108869282
3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide
CID 119739151
3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide;hydrochloride
CID 119739150
3-(ethylamino)-N-(4-fluorophenyl)propanamide
CID 62832288
N-(4-bromophenyl)-3-(pentan-3-ylamino)propanamide
CID 119106516

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)carbamoylamino]-N-[2-(ethylamino)ethyl]propanamide?
The IUPAC name of 3-[(4-bromophenyl)carbamoylamino]-N-[2-(ethylamino)ethyl]propanamide (CID 119508627) is 3-[(4-bromophenyl)carbamoylamino]-N-[2-(ethylamino)ethyl]propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)carbamoylamino]-N-[2-(ethylamino)ethyl]propanamide?
The canonical SMILES for 3-[(4-bromophenyl)carbamoylamino]-N-[2-(ethylamino)ethyl]propanamide is CCNCCNC(=O)CCNC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)carbamoylamino]-N-[2-(ethylamino)ethyl]propanamide?
The InChIKey is HWSAHVPFMFWHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O2/c1-2-16-9-10-17-13(20)7-8-18-14(21)19-12-5-3-11(15)4-6-12/h3-6,16H,2,7-10H2,1H3,(H,17,20)(H2,18,19,21).
What are the key properties of 3-[(4-bromophenyl)carbamoylamino]-N-[2-(ethylamino)ethyl]propanamide?
3-[(4-bromophenyl)carbamoylamino]-N-[2-(ethylamino)ethyl]propanamide has a molecular weight of 357.25 g/mol, XLogP of 1.69, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)carbamoylamino]-N-[2-(ethylamino)ethyl]propanamide is sourced from PubChem (CID 119508627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).