N-[(3R)-1-(4-aminophenyl)pyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]acetamide

C18H30N4O — CID 67147715

IUPACN-[(3R)-1-(4-aminophenyl)pyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCN(C(C)=O)[C@@H]1CCN(c2ccc(N)cc2)C1
InChIInChI=1S/C18H30N4O/c1-4-20(5-2)12-13-22(15(3)23)18-10-11-21(14-18)17-8-6-16(19)7-9-17/h6-9,18H,4-5,10-14,19H2,1-3H3/t18-/m1/s1
InChIKeyPDKHJXVWIQJLMX-GOSISDBHSA-N
MW318.47 g/mol
LogP2.04
Rot. Bonds7

About N-[(3R)-1-(4-aminophenyl)pyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]acetamide

N-[(3R)-1-(4-aminophenyl)pyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]acetamide (PubChem CID 67147715) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is N-[(3R)-1-(4-aminophenyl)pyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-(4-aminophenyl)pyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]acetamide
PubChem CID67147715
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC NameN-[(3R)-1-(4-aminophenyl)pyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCN(C(C)=O)[C@@H]1CCN(c2ccc(N)cc2)C1
InChIInChI=1S/C18H30N4O/c1-4-20(5-2)12-13-22(15(3)23)18-10-11-21(14-18)17-8-6-16(19)7-9-17/h6-9,18H,4-5,10-14,19H2,1-3H3/t18-/m1/s1
InChIKeyPDKHJXVWIQJLMX-GOSISDBHSA-N
XLogP2.04
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3R)-1-(4-aminophenyl)pyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]acetamide;N-[2-(diethylamino)ethyl]-N-[(3R)-1-(4-nitrophenyl)pyrrolidin-3-yl]acetamide
CID 158085053
N-[2-(diethylamino)ethyl]-N-[(3R)-1-(4-nitrophenyl)pyrrolidin-3-yl]acetamide;N-[(3R)-1-(4-nitrophenyl)pyrrolidin-3-yl]acetamide
CID 160663916
1-[4-[[1-(4-aminophenyl)pyrrolidin-3-yl]-methylamino]piperidin-1-yl]ethanone
CID 142931755
N-[1-(4-aminophenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 21087634
1-(4-aminophenyl)-N,N-diethylpiperidin-4-amine
CID 19804348
1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine
CID 10889414
bis([1-(4-aminophenyl)pyrrolidin-3-yl]-ethyl-dimethylazanium);hydrochloride
CID 173087840
2-amino-4-[3-(diethylamino)pyrrolidin-1-yl]benzoic acid
CID 104500618
4-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]aniline
CID 129499176
tert-butyl N-ethyl-N-[1-[4-(thiaziridin-2-yl)phenyl]pyrrolidin-3-yl]carbamate
CID 143125201
ethyl 2-[1-(4-aminophenyl)piperidin-4-yl]acetate
CID 1472673
4-(3-ethylpiperidin-1-yl)aniline
CID 43584200

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4-aminophenyl)pyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]acetamide?
The IUPAC name of N-[(3R)-1-(4-aminophenyl)pyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]acetamide (CID 67147715) is N-[(3R)-1-(4-aminophenyl)pyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]acetamide.
What is the SMILES notation for N-[(3R)-1-(4-aminophenyl)pyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]acetamide?
The canonical SMILES for N-[(3R)-1-(4-aminophenyl)pyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]acetamide is CCN(CC)CCN(C(C)=O)[C@@H]1CCN(c2ccc(N)cc2)C1.
What is the InChIKey of N-[(3R)-1-(4-aminophenyl)pyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]acetamide?
The InChIKey is PDKHJXVWIQJLMX-GOSISDBHSA-N. The full InChI is InChI=1S/C18H30N4O/c1-4-20(5-2)12-13-22(15(3)23)18-10-11-21(14-18)17-8-6-16(19)7-9-17/h6-9,18H,4-5,10-14,19H2,1-3H3/t18-/m1/s1.
What are the key properties of N-[(3R)-1-(4-aminophenyl)pyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]acetamide?
N-[(3R)-1-(4-aminophenyl)pyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]acetamide has a molecular weight of 318.47 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(4-aminophenyl)pyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]acetamide is sourced from PubChem (CID 67147715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).