N-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide

C14H21ClN2O3 — CID 111112461

IUPACN-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
SMILESO=C(CCN(CCO)CCCO)Nc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O3/c15-12-3-1-4-13(11-12)16-14(20)5-7-17(8-10-19)6-2-9-18/h1,3-4,11,18-19H,2,5-10H2,(H,16,20)
InChIKeyUJRKPGNBPWNNEU-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.35
Rot. Bonds9

About N-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide

N-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide (PubChem CID 111112461) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
PubChem CID111112461
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC NameN-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
SMILESO=C(CCN(CCO)CCCO)Nc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O3/c15-12-3-1-4-13(11-12)16-14(20)5-7-17(8-10-19)6-2-9-18/h1,3-4,11,18-19H,2,5-10H2,(H,16,20)
InChIKeyUJRKPGNBPWNNEU-UHFFFAOYSA-N
XLogP1.35
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide
CID 111423199
N-(2,6-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
CID 111112489
N-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
CID 111112511
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide
CID 62022676
methyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-ethylamino]propanoate
CID 62027371
N-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide
CID 61424662
2-[[3-(3-chloroanilino)-3-oxopropyl]-(2-methylpropyl)amino]acetic acid
CID 63065919
N-(3-chlorophenyl)-3-iodopropanamide
CID 64788380
N-(3-chlorophenyl)-2-(5-hydroxypentylamino)acetamide
CID 103820250
3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide
CID 113136739
3-[2-hydroxyethyl(propyl)amino]-N-phenylpropanamide
CID 62016603

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide (CID 111112461) is N-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide is O=C(CCN(CCO)CCCO)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide?
The InChIKey is UJRKPGNBPWNNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c15-12-3-1-4-13(11-12)16-14(20)5-7-17(8-10-19)6-2-9-18/h1,3-4,11,18-19H,2,5-10H2,(H,16,20).
What are the key properties of N-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide?
N-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide has a molecular weight of 300.79 g/mol, XLogP of 1.35, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide is sourced from PubChem (CID 111112461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).