N-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide

C14H23N3O2 — CID 61424662

IUPACN-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide
SMILESCCCN(CCO)CCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C14H23N3O2/c1-2-7-17(9-10-18)8-6-14(19)16-13-5-3-4-12(15)11-13/h3-5,11,18H,2,6-10,15H2,1H3,(H,16,19)
InChIKeyHPLUUSWFCAGAPR-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.30
Rot. Bonds8

About N-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide

N-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide (PubChem CID 61424662) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide
PubChem CID61424662
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide
SMILESCCCN(CCO)CCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C14H23N3O2/c1-2-7-17(9-10-18)8-6-14(19)16-13-5-3-4-12(15)11-13/h3-5,11,18H,2,6-10,15H2,1H3,(H,16,19)
InChIKeyHPLUUSWFCAGAPR-UHFFFAOYSA-N
XLogP1.30
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-hydroxyethyl(propyl)amino]-N-phenylpropanamide
CID 62016603
N-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide
CID 43587667
3-(dipropylamino)-N-phenylpropanamide
CID 52579960
3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide
CID 62022676
N-(3-aminophenyl)-2-(dibutylamino)acetamide
CID 28982406
N-(4-acetylphenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide
CID 110935819
N-(3-amino-4-fluorophenyl)-3-(dipropylamino)propanamide
CID 16779657
N-(3-aminophenyl)-3-(N-methylanilino)propanamide
CID 16778596
N-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
CID 111112461
N-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60692729
N-(3,4-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033116
3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride
CID 90483417

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide?
The IUPAC name of N-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide (CID 61424662) is N-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide?
The canonical SMILES for N-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide is CCCN(CCO)CCC(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide?
The InChIKey is HPLUUSWFCAGAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-7-17(9-10-18)8-6-14(19)16-13-5-3-4-12(15)11-13/h3-5,11,18H,2,6-10,15H2,1H3,(H,16,19).
What are the key properties of N-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide?
N-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide has a molecular weight of 265.36 g/mol, XLogP of 1.30, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide is sourced from PubChem (CID 61424662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).