4-[1-[2-ethyl-5-(3-methoxyphenyl)-1H-pyrrol-3-yl]ethylideneamino]-N,N-dipropylaniline

C27H35N3O — CID 137155823

IUPAC4-[1-[2-ethyl-5-(3-methoxyphenyl)-1H-pyrrol-3-yl]ethylideneamino]-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(/N=C(\C)c2cc(-c3cccc(OC)c3)[nH]c2CC)cc1
InChIInChI=1S/C27H35N3O/c1-6-16-30(17-7-2)23-14-12-22(13-15-23)28-20(4)25-19-27(29-26(25)8-3)21-10-9-11-24(18-21)31-5/h9-15,18-19,29H,6-8,16-17H2,1-5H3/b28-20+
InChIKeyMHGYPNIJQRFQRB-VFCFBJKWSA-N
MW417.60 g/mol
LogP7.02
Rot. Bonds10

About 4-[1-[2-ethyl-5-(3-methoxyphenyl)-1H-pyrrol-3-yl]ethylideneamino]-N,N-dipropylaniline

4-[1-[2-ethyl-5-(3-methoxyphenyl)-1H-pyrrol-3-yl]ethylideneamino]-N,N-dipropylaniline (PubChem CID 137155823) has the molecular formula C27H35N3O and a molecular weight of 417.60 g/mol. Its IUPAC name is 4-[1-[2-ethyl-5-(3-methoxyphenyl)-1H-pyrrol-3-yl]ethylideneamino]-N,N-dipropylaniline.

Molecular Properties

Compound Name4-[1-[2-ethyl-5-(3-methoxyphenyl)-1H-pyrrol-3-yl]ethylideneamino]-N,N-dipropylaniline
PubChem CID137155823
Molecular FormulaC27H35N3O
Molecular Weight417.60 g/mol
Exact Mass417.28
IUPAC Name4-[1-[2-ethyl-5-(3-methoxyphenyl)-1H-pyrrol-3-yl]ethylideneamino]-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(/N=C(\C)c2cc(-c3cccc(OC)c3)[nH]c2CC)cc1
InChIInChI=1S/C27H35N3O/c1-6-16-30(17-7-2)23-14-12-22(13-15-23)28-20(4)25-19-27(29-26(25)8-3)21-10-9-11-24(18-21)31-5/h9-15,18-19,29H,6-8,16-17H2,1-5H3/b28-20+
InChIKeyMHGYPNIJQRFQRB-VFCFBJKWSA-N
XLogP7.02
TPSA40.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.60
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-amino-5-(3-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 23282732
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
3-methoxy-4-methyl-N,N-dipropylaniline
CID 67208536
5-[(dipropylamino)methyl]-4-(3-methoxyphenyl)-3H-1,3-thiazol-2-one
CID 110830821
ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490254
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
4-(3-methoxyphenyl)-N,N-diphenylaniline
CID 175141155
3-methoxy-N,N-dipropylbenzamide
CID 669439
5-fluoro-3-[C-methyl-N-[4-[2-(methylamino)ethyl-propylamino]phenyl]carbonimidoyl]-1H-indol-2-ol
CID 146481593
7-chloro-5-ethyl-4-hydroxy-3-(3-(111C)methoxyphenyl)-1H-quinolin-2-one
CID 54735575
6-(3-methoxyphenyl)-4-phenyl-1H-pyridin-2-one
CID 10062054

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-ethyl-5-(3-methoxyphenyl)-1H-pyrrol-3-yl]ethylideneamino]-N,N-dipropylaniline?
The IUPAC name of 4-[1-[2-ethyl-5-(3-methoxyphenyl)-1H-pyrrol-3-yl]ethylideneamino]-N,N-dipropylaniline (CID 137155823) is 4-[1-[2-ethyl-5-(3-methoxyphenyl)-1H-pyrrol-3-yl]ethylideneamino]-N,N-dipropylaniline.
What is the SMILES notation for 4-[1-[2-ethyl-5-(3-methoxyphenyl)-1H-pyrrol-3-yl]ethylideneamino]-N,N-dipropylaniline?
The canonical SMILES for 4-[1-[2-ethyl-5-(3-methoxyphenyl)-1H-pyrrol-3-yl]ethylideneamino]-N,N-dipropylaniline is CCCN(CCC)c1ccc(/N=C(\C)c2cc(-c3cccc(OC)c3)[nH]c2CC)cc1.
What is the InChIKey of 4-[1-[2-ethyl-5-(3-methoxyphenyl)-1H-pyrrol-3-yl]ethylideneamino]-N,N-dipropylaniline?
The InChIKey is MHGYPNIJQRFQRB-VFCFBJKWSA-N. The full InChI is InChI=1S/C27H35N3O/c1-6-16-30(17-7-2)23-14-12-22(13-15-23)28-20(4)25-19-27(29-26(25)8-3)21-10-9-11-24(18-21)31-5/h9-15,18-19,29H,6-8,16-17H2,1-5H3/b28-20+.
What are the key properties of 4-[1-[2-ethyl-5-(3-methoxyphenyl)-1H-pyrrol-3-yl]ethylideneamino]-N,N-dipropylaniline?
4-[1-[2-ethyl-5-(3-methoxyphenyl)-1H-pyrrol-3-yl]ethylideneamino]-N,N-dipropylaniline has a molecular weight of 417.60 g/mol, XLogP of 7.02, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-ethyl-5-(3-methoxyphenyl)-1H-pyrrol-3-yl]ethylideneamino]-N,N-dipropylaniline is sourced from PubChem (CID 137155823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).