N,N-diethyl-2-[2-[4-(3-methylphenoxy)butoxy]carbazol-9-yl]acetamide

C29H34N2O3 — CID 69332968

IUPACN,N-diethyl-2-[2-[4-(3-methylphenoxy)butoxy]carbazol-9-yl]acetamide
SMILESCCN(CC)C(=O)Cn1c2ccccc2c2ccc(OCCCCOc3cccc(C)c3)cc21
InChIInChI=1S/C29H34N2O3/c1-4-30(5-2)29(32)21-31-27-14-7-6-13-25(27)26-16-15-24(20-28(26)31)34-18-9-8-17-33-23-12-10-11-22(3)19-23/h6-7,10-16,19-20H,4-5,8-9,17-18,21H2,1-3H3
InChIKeyREFBSIHIPMMXLJ-UHFFFAOYSA-N
MW458.60 g/mol
LogP6.21
Rot. Bonds11

About N,N-diethyl-2-[2-[4-(3-methylphenoxy)butoxy]carbazol-9-yl]acetamide

N,N-diethyl-2-[2-[4-(3-methylphenoxy)butoxy]carbazol-9-yl]acetamide (PubChem CID 69332968) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is N,N-diethyl-2-[2-[4-(3-methylphenoxy)butoxy]carbazol-9-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-[4-(3-methylphenoxy)butoxy]carbazol-9-yl]acetamide
PubChem CID69332968
Molecular FormulaC29H34N2O3
Molecular Weight458.60 g/mol
Exact Mass458.26
IUPAC NameN,N-diethyl-2-[2-[4-(3-methylphenoxy)butoxy]carbazol-9-yl]acetamide
SMILESCCN(CC)C(=O)Cn1c2ccccc2c2ccc(OCCCCOc3cccc(C)c3)cc21
InChIInChI=1S/C29H34N2O3/c1-4-30(5-2)29(32)21-31-27-14-7-6-13-25(27)26-16-15-24(20-28(26)31)34-18-9-8-17-33-23-12-10-11-22(3)19-23/h6-7,10-16,19-20H,4-5,8-9,17-18,21H2,1-3H3
InChIKeyREFBSIHIPMMXLJ-UHFFFAOYSA-N
XLogP6.21
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-[4-(3-methylphenoxy)butoxy]carbazol-9-yl]acetate
CID 91559387
2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid
CID 58948597
2-[2-(5-phenoxypentoxy)carbazol-9-yl]acetic acid
CID 58948689
ethyl 2-[2-(5-bromopentoxy)carbazol-9-yl]acetate
CID 91291482
2-[2-[3-[3-(dimethylamino)phenoxy]propoxy]carbazol-9-yl]acetic acid
CID 58948620
2-[2-[5-(3-propan-2-ylphenoxy)pentoxy]carbazol-9-yl]acetic acid
CID 58948638
2-[2-[4-(6-methoxynaphthalen-2-yl)oxybutoxy]carbazol-9-yl]acetic acid
CID 23627235
2-[2-[3-(3-propan-2-ylphenoxy)propoxy]carbazol-9-yl]acetic acid
CID 58948685
2-dodecoxy-9-dodecylcarbazole
CID 15163810
9-octadecyl-2-octoxycarbazole
CID 15163807
2-octoxy-9-octylcarbazole
CID 15163804
2-[ethyl-[4-(3-methylphenoxy)butanoyl]amino]acetic acid
CID 61022486

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-[4-(3-methylphenoxy)butoxy]carbazol-9-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[2-[4-(3-methylphenoxy)butoxy]carbazol-9-yl]acetamide (CID 69332968) is N,N-diethyl-2-[2-[4-(3-methylphenoxy)butoxy]carbazol-9-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[2-[4-(3-methylphenoxy)butoxy]carbazol-9-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[2-[4-(3-methylphenoxy)butoxy]carbazol-9-yl]acetamide is CCN(CC)C(=O)Cn1c2ccccc2c2ccc(OCCCCOc3cccc(C)c3)cc21.
What is the InChIKey of N,N-diethyl-2-[2-[4-(3-methylphenoxy)butoxy]carbazol-9-yl]acetamide?
The InChIKey is REFBSIHIPMMXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O3/c1-4-30(5-2)29(32)21-31-27-14-7-6-13-25(27)26-16-15-24(20-28(26)31)34-18-9-8-17-33-23-12-10-11-22(3)19-23/h6-7,10-16,19-20H,4-5,8-9,17-18,21H2,1-3H3.
What are the key properties of N,N-diethyl-2-[2-[4-(3-methylphenoxy)butoxy]carbazol-9-yl]acetamide?
N,N-diethyl-2-[2-[4-(3-methylphenoxy)butoxy]carbazol-9-yl]acetamide has a molecular weight of 458.60 g/mol, XLogP of 6.21, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-[4-(3-methylphenoxy)butoxy]carbazol-9-yl]acetamide is sourced from PubChem (CID 69332968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).