N,N-diethyl-4-[3-methoxy-N-(1-pyrrolidin-1-ylbutyl)anilino]benzamide

C26H37N3O2 — CID 70118988

IUPACN,N-diethyl-4-[3-methoxy-N-(1-pyrrolidin-1-ylbutyl)anilino]benzamide
SMILESCCCC(N1CCCC1)N(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1
InChIInChI=1S/C26H37N3O2/c1-5-11-25(28-18-8-9-19-28)29(23-12-10-13-24(20-23)31-4)22-16-14-21(15-17-22)26(30)27(6-2)7-3/h10,12-17,20,25H,5-9,11,18-19H2,1-4H3
InChIKeyIRYACWKAJQTMAB-UHFFFAOYSA-N
MW423.60 g/mol
LogP5.54
Rot. Bonds10

About N,N-diethyl-4-[3-methoxy-N-(1-pyrrolidin-1-ylbutyl)anilino]benzamide

N,N-diethyl-4-[3-methoxy-N-(1-pyrrolidin-1-ylbutyl)anilino]benzamide (PubChem CID 70118988) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is N,N-diethyl-4-[3-methoxy-N-(1-pyrrolidin-1-ylbutyl)anilino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[3-methoxy-N-(1-pyrrolidin-1-ylbutyl)anilino]benzamide
PubChem CID70118988
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC NameN,N-diethyl-4-[3-methoxy-N-(1-pyrrolidin-1-ylbutyl)anilino]benzamide
SMILESCCCC(N1CCCC1)N(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1
InChIInChI=1S/C26H37N3O2/c1-5-11-25(28-18-8-9-19-28)29(23-12-10-13-24(20-23)31-4)22-16-14-21(15-17-22)26(30)27(6-2)7-3/h10,12-17,20,25H,5-9,11,18-19H2,1-4H3
InChIKeyIRYACWKAJQTMAB-UHFFFAOYSA-N
XLogP5.54
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.60
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(N-[3-(diethylcarbamoyl)phenyl]-3-methoxyanilino)propanoate
CID 70116013
4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005778
N,N-diethyl-4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]benzamide
CID 58313276
N,N-diethyl-4-(3-methoxy-N-[(3R,4R)-3-methyl-1-prop-2-enylpiperidin-4-yl]anilino)benzamide
CID 10717752
4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid
CID 139957869
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
3-methoxy-N,N-dipropylbenzamide
CID 669439
4-[(R)-[(2S,5R)-2,5-dimethyl-4-(2-methylprop-2-enyl)piperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide
CID 10813958
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
N,N-diethyl-4-[(3-methoxyphenyl)-(4,5,5-trimethylpiperazin-2-yl)methyl]benzamide
CID 23447960
(2R)-N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-pyrazol-1-ylpropanamide
CID 94036059
N-(2-bromoethyl)-N-ethyl-3-methoxybenzamide
CID 80659973

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[3-methoxy-N-(1-pyrrolidin-1-ylbutyl)anilino]benzamide?
The IUPAC name of N,N-diethyl-4-[3-methoxy-N-(1-pyrrolidin-1-ylbutyl)anilino]benzamide (CID 70118988) is N,N-diethyl-4-[3-methoxy-N-(1-pyrrolidin-1-ylbutyl)anilino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[3-methoxy-N-(1-pyrrolidin-1-ylbutyl)anilino]benzamide?
The canonical SMILES for N,N-diethyl-4-[3-methoxy-N-(1-pyrrolidin-1-ylbutyl)anilino]benzamide is CCCC(N1CCCC1)N(c1ccc(C(=O)N(CC)CC)cc1)c1cccc(OC)c1.
What is the InChIKey of N,N-diethyl-4-[3-methoxy-N-(1-pyrrolidin-1-ylbutyl)anilino]benzamide?
The InChIKey is IRYACWKAJQTMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-5-11-25(28-18-8-9-19-28)29(23-12-10-13-24(20-23)31-4)22-16-14-21(15-17-22)26(30)27(6-2)7-3/h10,12-17,20,25H,5-9,11,18-19H2,1-4H3.
What are the key properties of N,N-diethyl-4-[3-methoxy-N-(1-pyrrolidin-1-ylbutyl)anilino]benzamide?
N,N-diethyl-4-[3-methoxy-N-(1-pyrrolidin-1-ylbutyl)anilino]benzamide has a molecular weight of 423.60 g/mol, XLogP of 5.54, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[3-methoxy-N-(1-pyrrolidin-1-ylbutyl)anilino]benzamide is sourced from PubChem (CID 70118988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).